N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C10H18N4O4S — CID 79652234

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O4S/c1-10(2,5-11)6-14(3)19(17,18)7-4-12-9(16)13-8(7)15/h4H,5-6,11H2,1-3H3,(H2,12,13,15,16)
InChIKeyGSGMGBKGKLBRTI-UHFFFAOYSA-N
MW290.35 g/mol
LogP-1.33
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 79652234) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID79652234
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O4S/c1-10(2,5-11)6-14(3)19(17,18)7-4-12-9(16)13-8(7)15/h4H,5-6,11H2,1-3H3,(H2,12,13,15,16)
InChIKeyGSGMGBKGKLBRTI-UHFFFAOYSA-N
XLogP-1.33
TPSA129.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 79652234) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is CN(CC(C)(C)CN)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is GSGMGBKGKLBRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-10(2,5-11)6-14(3)19(17,18)7-4-12-9(16)13-8(7)15/h4H,5-6,11H2,1-3H3,(H2,12,13,15,16).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of -1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 79652234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).